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GPCR

NameMelatonin receptor type 1A
SpeciesRattus norvegicus (Rat)
GeneMtnr1a
SynonymMel-1A-R
mel1a receptor
MelR
MT1 receptor
DiseaseN/A for non-human GPCRs
Length156
Amino acid sequenceCYICHSLKYDRIYSNKNSLCYVFLIWTLTLIAIMPNLQTGTLQYDPRIYSCTFTQSVSSAYTIALVVFHFVVPMIIVTFCYLRIWILVLQVRRRVKPDSKPKLKPQDFRNFVTMFVVFVLFALCWAPLNFIGLIVASDPATMAPRIPEWLFVASYY
UniProtP49218
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameBCTC
Molecular formulaC20H25ClN4O
IUPAC nameN-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Molecular weight372.897
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
Synonyms393514-24-4
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
CHEMBL441472
4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide, BCTC
D0P7VQ
[ Show all ]
Inchi KeyROGUAPYLUCHQGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PubChem CID9929425
ChEMBLN/A
IUPHARN/A
BindingDB50133817
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID12721338BindingDB

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